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Information card for entry 4085162
Preview
Coordinates | 4085162.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H52 N P Si Zr |
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Calculated formula | C34 H52 N P Si Zr |
SMILES | [Zr]123456789%10(C([Si](N(CC)CC)(C)C)[C]1(=[CH]2[C]13=[CH]4C[C@H]2C[C@@H]1C2(C)C)c1ccccc1)([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]9C%101)[P](C)(C)C |
Title of publication | Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal |
Authors of publication | Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 1 |
Pages of publication | 146 |
a | 9.1586 ± 0.0003 Å |
b | 11.4856 ± 0.0004 Å |
c | 31.2867 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3291.11 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0457 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4085162.html
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